2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Chemical Structure Depiction of
2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide
Compound characteristics
| Compound ID: | V031-0083 |
| Compound Name: | 2-({[4-(2-methoxyphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzamide |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C22 H19 N5 O2 S |
| Salt: | not_available |
| Smiles: | COc1ccccc1n1c(c2cccnc2)nnc1SCc1ccccc1C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4301 |
| logD: | 2.4259 |
| logSw: | -2.4105 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.619 |
| InChI Key: | CHULDRLTSJPQHW-UHFFFAOYSA-N |